1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one

C18H18Cl2N4O — CID 170929065

IUPAC1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3C2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O/c19-13-8-11(21)9-14(20)18(13)24-15-6-7-17(25)23(16(15)10-22-24)12-4-2-1-3-5-12/h6-10,12H,1-5,21H2
InChIKeyIBJAPHOPPKGYGH-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.58
Rot. Bonds2

About 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one

1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one (PubChem CID 170929065) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one
PubChem CID170929065
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one
SMILESNc1cc(Cl)c(-n2ncc3c2ccc(=O)n3C2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N4O/c19-13-8-11(21)9-14(20)18(13)24-15-6-7-17(25)23(16(15)10-22-24)12-4-2-1-3-5-12/h6-10,12H,1-5,21H2
InChIKeyIBJAPHOPPKGYGH-UHFFFAOYSA-N
XLogP4.58
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one (CID 170929065) is 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one is Nc1cc(Cl)c(-n2ncc3c2ccc(=O)n3C2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one?
The InChIKey is IBJAPHOPPKGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c19-13-8-11(21)9-14(20)18(13)24-15-6-7-17(25)23(16(15)10-22-24)12-4-2-1-3-5-12/h6-10,12H,1-5,21H2.
What are the key properties of 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one?
1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one has a molecular weight of 377.28 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 170929065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).